Thiocarbamizine

2-[[4-(carbamoylamino)phenyl]-(2-carboxyphenyl)sulfanylarsanyl]sulfanylbenzoic acid

CAS: 91-71-4

Molecular Formula	`C21H17AsN2O5S2`
Molecular Weight	516.4 g/mol
Topological Polar Surface Area	180.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	515.9795
Heavy Atoms	31
Complexity	611.0

Chemical Identifiers

CAS Number	91-71-4
SMILES	`C1=CC=C(C(=C1)C(=O)O)S[As](C2=CC=C(C=C2)NC(=O)N)SC3=CC=CC=C3C(=O)O`
InChIKey	`HVHVTGIAAGQNOB-UHFFFAOYSA-N`

📖 Product Overview

Thiocarbamizine (CAS: 91-71-4) is a chemical compound with molecular formula C21H17AsN2O5S2 and molecular weight 516.4 g/mol. Its IUPAC systematic name is 2-[[4-(carbamoylamino)phenyl]-(2-carboxyphenyl)sulfanylarsanyl]sulfanylbenzoic acid. Topological Polar Surface Area 180.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 8 Exact Mass 515.9795 Heavy Atoms 31 Complexity 611.0 InChI Key: HVHVTGIAAGQNOB-UHFFFAOYSA-N. SMILES: C1=CC=C(C(=C1)C(=O)O)S[As](C2=CC=C(C=C2)NC(=O)N)SC3=CC=CC=C3C(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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